Commits · main · mpsd-computational-science / octopus · GitLab

May 08, 2024
- Enable silent deprecation for autotools · 2021aa1e
  Martin Lang authored May 08, 2024
  
  2021aa1e
- Add JWT token · 2d2a5106
  Martin Lang authored May 07, 2024
  
  2d2a5106
- Fix MPI debug segfault (missing CPPFLAGS) · 46f66c4a
  Martin Lang authored May 06, 2024
  46f66c4a
- Update tag of mpsd slurm runner; streamline tag usage · c01e3c96
  Martin Lang authored Apr 30, 2024
  
  c01e3c96
- [NOT FOR UPSTREAM] Update all tolerance failures (including flakey tests) 2 · 41266399
  Martin Lang authored Apr 30, 2024
  
  41266399
- [NOT FOR UPSTREAM] Update all tolerance failures (might contain flaky tests) · 2e4701d9
  Martin Lang authored Apr 30, 2024
  
  2e4701d9
- GitLab CI · bfea9e98
  Martin Lang authored Apr 30, 2024
  
  bfea9e98
- Merge branch '999-incorrect-interfaces-in-splines' into 'main' · 8461cf9e
  Martin Lueders authored May 08, 2024
  8461cf9e
May 07, 2024
- remove another pure · 2f56206d
  Martin Lueders authored May 07, 2024
  
  2f56206d
- remove unused acc argument · e25a22ba
  Martin Lueders authored May 07, 2024
  
  e25a22ba
- remove pure from oct_spline_eval · 70864fa0
  Martin Lueders authored May 07, 2024
  
  70864fa0
- Merge branch 'intersite_occupation_matrix_output' into 'main' · 305d7600
  Nicolas Tancogne-Dejean authored May 07, 2024
  305d7600
- Merge branch 'merge_14.1' into 'main' · f66e3044
  Nicolas Tancogne-Dejean authored May 07, 2024
  f66e3044
- update tolerances for valgrind and ppc builder · cd696677
  Martin Lueders authored May 06, 2024
  
  cd696677
May 06, 2024
- Merge branch 'fix_temp_arrays' into 'main' · 98575238
  Martin Lueders authored May 06, 2024
  98575238
- Add the output of the intersite occupation matrix. · 95536773
  Nicolas Tancogne-Dejean authored Apr 16, 2024
  
  95536773
- relax fullerene test · 5e07f4be
  Martin Lueders authored May 06, 2024
  
  5e07f4be
- introduce contiguous flags · 0d5b7eaa
  Martin Lueders authored May 06, 2024
  
  0d5b7eaa
May 03, 2024
- update tolerances · 9d72c192
  Martin Lueders authored May 03, 2024
  
  9d72c192
- resolve merge problem · 889bb530
  Martin Lueders authored May 03, 2024
  
  889bb530
May 02, 2024
- rename test · e568e752
  Martin Lueders authored May 02, 2024
  
  e568e752
- fix merge conflicts · 67c81d00
  Martin Lueders authored May 02, 2024
  
  67c81d00
- Merge branch 'hotfix-14.1' into merge_14.1 · 7f7cc9c0
  Martin Lueders authored May 02, 2024
  
  7f7cc9c0
- Merge branch 'tutorial_inversion_and_fixes' into 'main' · 1b1ed415
  Martin Lueders authored May 02, 2024
  1b1ed415
- fix merge problem · e5f5ce7d
  Martin Lueders authored May 02, 2024
  
  e5f5ce7d
May 01, 2024
- Merge branch 'phonon_lr_refactoring' into 'main' · 2e4c5e32
  Nicolas Tancogne-Dejean authored May 01, 2024
  2e4c5e32
- Some improvements following review recommendations. · f21bdd0b
  Nicolas Tancogne-Dejean authored Apr 26, 2024
  
  f21bdd0b
- Adjust the reference of the test. · e83c286e
  Nicolas Tancogne-Dejean authored Apr 25, 2024
  
  e83c286e
- Minor improvements following Micael's suggestions. · c22727cb
  Nicolas Tancogne-Dejean authored Apr 19, 2024
  
  c22727cb
- Make a more general version of the staggered grid for the spline_der2 routine. · d8815a1e
  Nicolas Tancogne-Dejean authored Apr 16, 2024
  
  d8815a1e
- Adding some more information. · 7294b171
  Nicolas Tancogne-Dejean authored Apr 15, 2024
  
  7294b171
- Mention an extra variable to treat the asymptotics. · a22d2474
  Nicolas Tancogne-Dejean authored Apr 06, 2024
  
  a22d2474
- Adding a tutorial on the Kohn-Sham inversion for the two-particle case. · b0830885
  Nicolas Tancogne-Dejean authored Apr 05, 2024
  
  b0830885
- Use splines for computing the Laplacian in the 1D case · 528303cd
  Nicolas Tancogne-Dejean authored Apr 05, 2024
  528303cd
- Small cleaning of the code. · 41fa6035
  Nicolas Tancogne-Dejean authored Apr 05, 2024
  
  41fa6035
- Revert a change that was making the restart fail. · 6ecedab1
  Nicolas Tancogne-Dejean authored Apr 26, 2024
  
  6ecedab1
Apr 30, 2024
- Merge branch 'relax_fullerene_test' into 'main' · b1325b2a
  Nicolas Tancogne-Dejean authored Apr 30, 2024
  b1325b2a
- relax tolerance · 50071c22
  Martin Lueders authored Apr 30, 2024
  
  50071c22
Apr 29, 2024
- Merge branch 'kinetic_pressure_sumrule' into 'main' · 21f1eb00
  Nicolas Tancogne-Dejean authored Apr 29, 2024
  21f1eb00
- Merge branch 'fdep_submodule' into 'main' · c704fbfd
  Nicolas Tancogne-Dejean authored Apr 29, 2024
  c704fbfd